CS-1093314
5-Methyl-3-((2-oxo-2-phenylethyl)thio)isothiazole-4-carbonitrile
Manufacturer: ChemScene
CAS Number: 338418-03-4
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Purity
90%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₀N₂OS₂
Molecular Weight
274.36
Synonyms
None
SMILES
N#CC=1C(=NSC1C)SCC(=O)C=2C=CC=CC2
Tpsa
53.75
Logp
3.2982
H Acceptors
5
H Donors
0
Rotatable Bonds
4
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₀N₂OS₂
Molecular Weight: 274.36
Synonyms: None
SMILES: N#CC=1C(=NSC1C)SCC(=O)C=2C=CC=CC2
Tpsa: 53.75
Logp: 3.2982
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 4
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₀N₂OS₂
Molecular Weight:
274.36
Synonyms:
None
SMILES:
N#CC=1C(=NSC1C)SCC(=O)C=2C=CC=CC2
Tpsa:
53.75
Logp:
3.2982
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₄ClF₃N₂O
Molecular Weight: 212.56
Synonyms: None
SMILES: FC(C1=C(OC)N=CN=C1Cl)(F)F
Tpsa: 35.01
Logp: 2.1574
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₄ClF₃N₂O
Molecular Weight:
212.56
Synonyms:
None
SMILES:
FC(C1=C(OC)N=CN=C1Cl)(F)F
Tpsa:
35.01
Logp:
2.1574
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₈ClNO₃S
Molecular Weight: 363.86
Synonyms: None
SMILES: O=C(C1=CC=C(Cl)C=C1)C(=CN(C)C)S(=O)(=O)C2=CC=C(C=C2)C
Tpsa: 54.45
Logp: 3.70802
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₈ClNO₃S
Molecular Weight:
363.86
Synonyms:
None
SMILES:
O=C(C1=CC=C(Cl)C=C1)C(=CN(C)C)S(=O)(=O)C2=CC=C(C=C2)C
Tpsa:
54.45
Logp:
3.70802
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈ClNO₃S
Molecular Weight: 245.68
Synonyms: None
SMILES: O=C1N(C2=CC=C(Cl)C=C2)CS(=O)(=O)C1
Tpsa: 54.45
Logp: 1.0589
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈ClNO₃S
Molecular Weight:
245.68
Synonyms:
None
SMILES:
O=C1N(C2=CC=C(Cl)C=C2)CS(=O)(=O)C1
Tpsa:
54.45
Logp:
1.0589
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1